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7478-60-6 | 4H-1-Benzopyran-4-one,3-hydroxy-7-methoxy-2-phenyl-
CAS No: 7478-60-6 Catalog No: AG005H9Q MDL No:
Product Description
Catalog Number:
AG005H9Q
Chemical Name:
4H-1-Benzopyran-4-one,3-hydroxy-7-methoxy-2-phenyl-
CAS Number:
7478-60-6
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
IUPAC Name:
3-hydroxy-7-methoxy-2-phenylchromen-4-one
InChI:
InChI=1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-16(15(18)14(12)17)10-5-3-2-4-6-10/h2-9,18H,1H3
InChI Key:
IPRIGHIBTRMTDP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(c(c2=O)O)c1ccccc1
UNII:
0ZT4X5SA77
NSC Number:
401510
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Small molecule inhibitors of the HPV16-E6 interaction with caspase 8. | Bioorganic & medicinal chemistry letters 20120301 |
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